BDBM13596 ({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-(3,4-difluorophenyl)propyl]phenyl}difluoromethyl)phosphonic acid::Aryldifluoromethyl-Phosphonic Acid Inhibitor 3::CHEMBL267048

SMILES c1ccc2c(c1)nnn2C(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)c5ccc(c(c5)F)F

InChI Key InChIKey=BTAGTGWPDROBMG-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 13596   

TargetTyrosine-protein phosphatase non-receptor type 1 [1-298](Human)
Merck Research Laboratories

LigandPNGBDBM13596(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Affinity DataIC50: 13nMpH: 6.3 T: 2°CAssay Description:Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/5/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM13596(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Affinity DataIC50: 120nMAssay Description:Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) over-expressed in intact Sf9 cell assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM13596(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Affinity DataIC50: 12nMAssay Description:Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) over-expressed in intact Sf9 cell assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM13596(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Affinity DataIC50: 8nMAssay Description:Inhibitory activity against T cell protein tyrosine phosphataseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein phosphatase C(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM13596(({4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibitory activity against CD45 protein-tyrosine phosphataseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed